6,6-dimethyl-4-oxidanylidene-1-(4-propan-2-ylphenyl)-3-quinoxalin-2-yl-5,7-dihydroindazole-5-carbonitrile

Systemtic Name: 6,6-dimethyl-4-oxidanylidene-1-(4-propan-2-ylphenyl)-3-quinoxalin-2-yl-5,7-dihydroindazole-5-carbonitrile Openeye Name: 1-(4-isopropylphenyl)-6,6-dimethyl-4-oxo-3-quinoxalin-2-yl-5,7-dihydroindazole-5-carbonitrile CAS Name: 6,6-dimethyl-4-oxo-1-(4-propan-2-ylphenyl)-3-(2-quinoxalinyl)-5,7-dihydroindazole-5-carbonitrile IUPAC Name: 6,6-dimethyl-4-oxo-1-(4-propan-2-ylphenyl)-3-quinoxalin-2-yl-5,7-dihydroindazole-5-carbonitrile Traditional Name: 4-keto-6,6-dimethyl-1-p-cumenyl-3-quinoxalin-2-yl-5,7-dihydroindazole-5-carbonitrile Formula: C27H25N5O MolecularWeight: 435.5203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)C(C(C3)(C)C)C#N)C(=N2)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)C(C(C3)(C)C)C#N)C(=N2)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H25N5O/c1-16(2)17-9-11-18(12-10-17)32-23-13-27(3,4)19(14-28)26(33)24(23)25(31-32)22-15-29-20-7-5-6-8-21(20)30-22/h5-12,15-16,19H,13H2,1-4H3